Sodium ion → N,N-dicyclopropyl-6-ethyl-4-(5-fluorobenzo[d]thiazol-2-ylamino)-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide

HRID 668841Notes

Reaction equation

HRID 668841 reaction equation
[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[F:28][c:29]1[cH:30][cH:31][c:32]2[c:33]([n:34][c:35]([S:37]([CH3:38])=[O:39])[s:36]2)[cH:40]1.[H-:26].[NH2:1][c:2]1[c:3]2[c:4]([c:5]3[c:6]([n:7]1)[n:8]([CH2:20][CH3:21])[c:9]([C:11](=[O:12])[N:13]([CH:14]1[CH2:15][CH2:16]1)[CH:17]1[CH2:18][CH2:19]1)[cH:10]3)[n:22]([CH3:25])[cH:23][n:24]2.[Na+:27].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[NH:1]([c:2]1[c:3]2[c:4]([c:5]3[c:6]([n:7]1)[n:8]([CH2:20][CH3:21])[c:9]([C:11](=[O:12])[N:13]([CH:14]1[CH2:15][CH2:16]1)[CH:17]1[CH2:18][CH2:19]1)[cH:10]3)[n:22]([CH3:25])[cH:23][n:24]2)[c:35]1[n:34][c:33]2[c:32]([cH:31][cH:30][c:29]([F:28])[cH:40]2)[s:36]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 581805034-amino-N,N-dicyclopropyl-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamideHCID 581806265-Fluoro-2-(methylsulfinyl)benzo[d]thiazole

Product 1

HCID 58180636N,N-dicyclopropyl-6-ethyl-4-(5-fluorobenzo[d]thiazol-2-ylamino)-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide

Sources & evidence

ORD record
ord-b6e9627943bb4b5a90d0ab9b157af5d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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